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4-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]benzoic acid

4-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]benzoic acid

Systemtic Name:4-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]benzoic acid
Openeye Name:4-[4-(3-nitrobenzoyl)piperazin-1-yl]benzoic acid
CAS Name:4-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]benzoic acid
IUPAC Name:4-[4-(3-nitrobenzoyl)piperazin-1-yl]benzoic acid
Traditional Name:4-[4-(3-nitrobenzoyl)piperazino]benzoic acid
Formula: C18H17N3O5
MolecularWeight: 355.34468
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]


Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C18H17N3O5/c22-17(14-2-1-3-16(12-14)21(25)26)20-10-8-19(9-11-20)15-6-4-13(5-7-15)18(23)24/h1-7,12H,8-11H2,(H,23,24)


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